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(Q104398940)
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English
[5-Hydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₂₄H₂₈O₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
iridoid
1 reference
inferred from
iridoid
mass
508.158076336
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₂₈O₁₂
0 references
canonical SMILES
O=C(OCC12OC2C(O)C3C=COC(OC4OC(CO)C(O)C(O)C4O)C31)C=CC5=CC=C(O)C=C5
0 references
found in taxon
Asystasia intrusa
1 reference
stated in
Aliphatic alcohol and iridoid glycosides from Asystasia intrusa
Identifiers
InChI
InChI=1S/C24H28O12/c25-9-14-18(29)19(30)20(31)23(34-14)35-22-16-13(7-8-32-22)17(28)21-24(16,36-21)10-33-15(27)6-3-11-1-4-12(26)5-2-11/h1-8,13-14,16-23,25-26,28-31H,9-10H2
0 references
InChIKey
MVTLXFDHKDVAIC-UHFFFAOYSA-N
0 references
PubChem CID
78410336
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
MVTLXFDHKDVAIC-UHFFFAOYSA-N
ChEBI ID
181910
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C24H28O12/c25-9-14-18(29)19(30)20(31)23(34-14)35-22-16-13(7-8-32-22)17(28)21-24(16,36-21)10-33-15(27)6-3-11-1-4-12(26)5-2-11/h1-8,13-14,16-23,25-26,28-31H,9-10H2
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